Dataset

Verrucarol

This MassBank record with Accession MSBNK-AAFC-AC000269 contains the MS2 mass spectrum of Verrucarol with the InChIkey ZSRVBNXAPSQDFY-OJVARPOJSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H22O4/c1-9-3-4-14(7-16)11(5-9)19-12-6-10(17)13(14,2)15(12)8-18-15/h5,10-12,16-17H,3-4,6-8H2,1-2H3/t10-,11-,12-,13-,14-,15+/m1/s1
SMILES CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C[C@H]([C@@]34CO4)O2)O)C)CO
InChI Key ZSRVBNXAPSQDFY-OJVARPOJSA-N
Molecular Formula C15H22O4
Exact Mass 266.152 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000269
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:22:29.120961
MetadataModified 2024-01-11T09:22:29.269512
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
70103640 NMRShiftDB
16193861 PubChem: Thomson Pharma
15021149 PubChem: Thomson Pharma
J34.207F Nikkaji
10038552 PubChem
4FAZ232G4J FDA SRS
ZINC000005767450 ZINC
16Z45187LG FDA SRS
CHEMBL504718 ChEMBL
The data in this table is sourced from UniChem at EBI.